General Information of the Compound
| Compound ID |
CP0398024
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| Compound Name |
N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C26H23N3O4
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| Molecular Weight |
441.487
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)c1ccco1
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| InChI |
InChI=1S/C26H23N3O4/c1-18-6-9-20(10-7-18)24-17-21(27-28(24)22-12-14-23(32-3)15-13-22)11-8-19(2)29(31)26(30)25-5-4-16-33-25/h4-7,9-10,12-17,19,31H,1-3H3
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| InChIKey |
BRNKPUSCUPBXLG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound